5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0163 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C26 H22 N4 O4 |
| Smiles: | CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.3547 |
| logD: | 5.024 |
| logSw: | -5.5486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.139 |
| InChI Key: | MBPKKVLNHBPZPB-UHFFFAOYSA-N |